| SpectraBase Compound ID | AlVh754ZCsI |
|---|---|
| InChI | InChI=1S/C29H53N/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h20-26H,7-19,30H2,1-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | LVOJEZZFVFLTSF-PBAAWZQPSA-N |
| Mol Weight | 415.8 g/mol |
| Molecular Formula | C29H53N |
| Exact Mass | 415.417801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH5YRyOeCOn |
|---|---|
| Name | 3.alpha.-Amino-3.beta.-ethyl-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.417800711 u |
| Formula | C29H53N |
| InChI | InChI=1S/C29H53N/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h20-26H,7-19,30H2,1-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | LVOJEZZFVFLTSF-PBAAWZQPSA-N |
| Molecular Weight | 415.750 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](N)(CC)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |